4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21N3O5/c1-32-21-13-10-17(14-22(21)33-2)23-20(15-28(27-23)19-6-4-3-5-7-19)24(29)26-18-11-8-16(9-12-18)25(30)31/h3-15H,1-2H3,(H,26,29)(H,30,31)